![2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline structure](/static/products/4497/449765-88-2.webp)
2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 449765-88-2) is a chemical compound with molecular formula C25H22ClN3O8 and molecular weight 527.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-nitrophenyl)-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline, F0535-0659, (5-chloro-2-nitrophenyl)(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone, (5-chloro-2-nitrophenyl)-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
| Molecular Formula | C25H22ClN3O8 |
|---|---|
| Molecular Weight | 527.11 g/mol |
| LogP | 4.9922 |
| Topological Polar Surface Area | 134.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.10956 |
| Heavy Atoms | 37 |
| Complexity | 1362.788 |
Chemical Identifiers
| CAS Number | 449765-88-2 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])COC4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 449765-88-2), with molecular formula C25H22ClN3O8 and molecular weight 527.11 g/mol. IUPAC: (5-chloro-2-nitrophenyl)-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
Chemical Property Profile of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 4.9922 indicates that 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is 449765-88-2.
What is the molecular formula of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is C25H22ClN3O8.
What is the molecular weight of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is 527.11 g/mol.
Where can I buy 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.